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About This Item
Linear Formula:
NCC6H4CO2C2H5
CAS Number:
Molecular Weight:
175.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
97%
form
solid
mp
63-67 °C (lit.)
SMILES string
CCOC(=O)c1ccccc1C#N
InChI
1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3
InChI key
RQQAJOJDAZNFPF-UHFFFAOYSA-N
General description
Reaction between phthalic acid monoamide and ethanol in pyridine in the presence of p-toluenesulfonyl chloride affords ethyl 2-cyanobenzoate.
Application
Ethyl 2-cyanobenzoate may be used to synthesize 2-(aminomethyl)benzyl alcohol.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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5-Membered N-heterocyclic compounds by dimethyl carbonate chemistry.
Arico F, et al.
Green Chemistry, 14(1), 58-61 (2012)
Effect of ortho substituents on carbonyl carbon 13C NMR chemical shifts in substituted phenyl benzoates.
Nummert V, et al.
Journal of Physical Organic Chemistry, 22(12), 1155-1165 (2009)
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